(6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-3-yl)-piperidin-1-ylmethanone

C16H25NO2 — CID 4647003

IUPAC(6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-3-yl)-piperidin-1-ylmethanone
SMILESCC12COC3(C(=O)N4CCCCC4)CC1CCC32C
InChIInChI=1S/C16H25NO2/c1-14-11-19-16(10-12(14)6-7-15(14,16)2)13(18)17-8-4-3-5-9-17/h12H,3-11H2,1-2H3
InChIKeyAANKVANJSVHPHV-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.59
Rot. Bonds1

About (6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-3-yl)-piperidin-1-ylmethanone

(6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-3-yl)-piperidin-1-ylmethanone (PubChem CID 4647003) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-3-yl)-piperidin-1-ylmethanone
PubChem CID4647003
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-3-yl)-piperidin-1-ylmethanone
SMILESCC12COC3(C(=O)N4CCCCC4)CC1CCC32C
InChIInChI=1S/C16H25NO2/c1-14-11-19-16(10-12(14)6-7-15(14,16)2)13(18)17-8-4-3-5-9-17/h12H,3-11H2,1-2H3
InChIKeyAANKVANJSVHPHV-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-3-yl)-piperidin-1-ylmethanone (CID 4647003) is (6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-3-yl)-piperidin-1-ylmethanone is CC12COC3(C(=O)N4CCCCC4)CC1CCC32C.
What is the InChIKey of (6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-3-yl)-piperidin-1-ylmethanone?
The InChIKey is AANKVANJSVHPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-14-11-19-16(10-12(14)6-7-15(14,16)2)13(18)17-8-4-3-5-9-17/h12H,3-11H2,1-2H3.
What are the key properties of (6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-3-yl)-piperidin-1-ylmethanone?
(6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-3-yl)-piperidin-1-ylmethanone has a molecular weight of 263.38 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 4647003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).